6-(2,4-dimethylphenyl)-N-[(2-methyl-3-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

C27H32N4O3S — CID 153427345

About 6-(2,4-dimethylphenyl)-N-[(2-methyl-3-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

6-(2,4-dimethylphenyl)-N-[(2-methyl-3-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 153427345) has the molecular formula C27H32N4O3S and a molecular weight of 492.65 g/mol. Its IUPAC name is 6-(2,4-dimethylphenyl)-N-[(2-methyl-3-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(2,4-dimethylphenyl)-N-[(2-methyl-3-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• PubChem CID: 153427345
• Molecular Formula: C27H32N4O3S
• Molecular Weight: 492.65 g/mol
• Exact Mass: 492.22
• IUPAC Name: 6-(2,4-dimethylphenyl)-N-[(2-methyl-3-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• SMILES: Cc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3C)c(N3C[C@@H](C)CC3(C)C)n2)c(C)c1
• InChI: InChI=1S/C27H32N4O3S/c1-17-9-10-21(19(3)14-17)23-12-11-22(25(29-23)31-16-18(2)15-27(31,5)6)26(32)30-35(33,34)24-8-7-13-28-20(24)4/h7-14,18H,15-16H2,1-6H3,(H,30,32)/t18-/m0/s1
• InChIKey: GOIFIQHDUQPSIF-SFHVURJKSA-N
• XLogP: 4.81
• TPSA: 92.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.65
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylphenyl)-N-[(2-methyl-3-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The IUPAC name of 6-(2,4-dimethylphenyl)-N-[(2-methyl-3-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 153427345) is 6-(2,4-dimethylphenyl)-N-[(2-methyl-3-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for 6-(2,4-dimethylphenyl)-N-[(2-methyl-3-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The canonical SMILES for 6-(2,4-dimethylphenyl)-N-[(2-methyl-3-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is Cc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3C)c(N3C[C@@H](C)CC3(C)C)n2)c(C)c1.

What is the InChIKey of 6-(2,4-dimethylphenyl)-N-[(2-methyl-3-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The InChIKey is GOIFIQHDUQPSIF-SFHVURJKSA-N. The full InChI is InChI=1S/C27H32N4O3S/c1-17-9-10-21(19(3)14-17)23-12-11-22(25(29-23)31-16-18(2)15-27(31,5)6)26(32)30-35(33,34)24-8-7-13-28-20(24)4/h7-14,18H,15-16H2,1-6H3,(H,30,32)/t18-/m0/s1.

What are the key properties of 6-(2,4-dimethylphenyl)-N-[(2-methyl-3-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

6-(2,4-dimethylphenyl)-N-[(2-methyl-3-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 492.65 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,4-dimethylphenyl)-N-[(2-methyl-3-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 153427345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).